5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol

C20H23N5O — CID 166151232

IUPAC5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol
SMILESCc1cnc(-c2nnc(N[C@@H]3CCCN(C)C3)c3ccccc23)c(O)c1
InChIInChI=1S/C20H23N5O/c1-13-10-17(26)19(21-11-13)18-15-7-3-4-8-16(15)20(24-23-18)22-14-6-5-9-25(2)12-14/h3-4,7-8,10-11,14,26H,5-6,9,12H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyPCUPBMFHUSEREU-CQSZACIVSA-N
MW349.44 g/mol
LogP3.21
Rot. Bonds3

About 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol

5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol (PubChem CID 166151232) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol
PubChem CID166151232
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol
SMILESCc1cnc(-c2nnc(N[C@@H]3CCCN(C)C3)c3ccccc23)c(O)c1
InChIInChI=1S/C20H23N5O/c1-13-10-17(26)19(21-11-13)18-15-7-3-4-8-16(15)20(24-23-18)22-14-6-5-9-25(2)12-14/h3-4,7-8,10-11,14,26H,5-6,9,12H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyPCUPBMFHUSEREU-CQSZACIVSA-N
XLogP3.21
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol?
The IUPAC name of 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol (CID 166151232) is 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol.
What is the SMILES notation for 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol?
The canonical SMILES for 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol is Cc1cnc(-c2nnc(N[C@@H]3CCCN(C)C3)c3ccccc23)c(O)c1.
What is the InChIKey of 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol?
The InChIKey is PCUPBMFHUSEREU-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-10-17(26)19(21-11-13)18-15-7-3-4-8-16(15)20(24-23-18)22-14-6-5-9-25(2)12-14/h3-4,7-8,10-11,14,26H,5-6,9,12H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol?
5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol has a molecular weight of 349.44 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]pyridin-3-ol is sourced from PubChem (CID 166151232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).